3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane

C19H29NO — CID 18342617

IUPAC3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)CO2
InChIInChI=1S/C19H29NO/c1-18(2,3)20-11-9-19(10-12-20)14-17(15-21-19)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKeyOHQMGUZGSGJPAL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds2

About 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane

3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 18342617) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID18342617
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)CO2
InChIInChI=1S/C19H29NO/c1-18(2,3)20-11-9-19(10-12-20)14-17(15-21-19)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKeyOHQMGUZGSGJPAL-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
2-(Methoxymethyl)-1-methyl-4-phenylpiperidine--hydrogen chloride (1/1)
CID 3046465
1-Oxaspiro(4.5)decane-3-methanamine, N,N-dimethyl-4-phenyl-, hydrochloride
CID 3061086
Piperidine, 1-((4-(4-methylphenyl)-1-oxaspiro(4.5)dec-3-yl)methyl)-, hydrochloride
CID 3061097
Piperidine, 1-(2-(tetrahydro-2,2-dimethyl-4-(phenylmethyl)-2H-pyran-4-yl)ethyl)-
CID 3076287
Piperidine, 1-(2-(tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076288
Piperidine, 1-(2-(2-ethyltetrahydro-2-methyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076290
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl]-N,N-dimethylpropane-1,3-diamine
CID 4871104
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-phenylpropyl]-N,N-dimethylpropane-1,3-diamine
CID 4975739

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane (CID 18342617) is 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)CO2.
What is the InChIKey of 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OHQMGUZGSGJPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2,3)20-11-9-19(10-12-20)14-17(15-21-19)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3.
What are the key properties of 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).